Cas no 71685-97-7 (Benzene,isothiocyanatodimethyl- (9CI))
71685-97-7 structure
Product Name:Benzene,isothiocyanatodimethyl- (9CI)
Benzene,isothiocyanatodimethyl- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzene,isothiocyanatodimethyl- (9CI)
- Xylyl isothiocyanate
- 1-Isothiocyanato-2,3-dimethylbenzene
- FT-0610178
- 2,4-dimethylphenyl-isothiocyanate
- GEO-01213
- 2,4-Dimethylphenyl isothiocyanate
- 1-isothiocyanato-2,4-dimethyl-benzene
- D4913
- A824762
- 2-Methyl-1-butene-3-yne
- starbld0044478
- 1-Isothiocyanato-2,4-dimethylbenzene
- 39842-01-8
- SCHEMBL945304
- EN300-01248
- 1-Isothiocyanato-2,4-dimethylbenzene #
- PS-10300
- 2,4-xylyl isothiocyanate
- AKOS000268952
- DTXSID20960410
- F20942
- Isothiocyanic Acid 2,4-Dimethylphenyl Ester
- BP-12890
- 71685-97-7
- EINECS 275-839-0
- J-802054
- 2,4-Dimethylphenylisothiocyanate
- SY078914
- 1-isothiocyanato-2,4-dimethyl benzene
- 2,4-dimethyl-phenyl isothiocyanate
- FT-0610180
- MFCD00022054
- W-200345
- Isothiocyanic Acid 2,4-Xylyl Ester
-
- Inchi： 1S/C9H9NS/c1-7-3-4-9(10-6-11)8(2)5-7/h3-5H,1-2H3
- InChI Key： HOHSBFCSOARUBF-UHFFFAOYSA-N
- SMILES： S=C=NC1=CC=C(C)C=C1C
Computed Properties
- Exact Mass: 163.04567
- Monoisotopic Mass: 163.04557046g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 172
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 4.1
- Topological Polar Surface Area: 44.4?2
Experimental Properties
- PSA: 12.36
Benzene,isothiocyanatodimethyl- (9CI) Related Literature
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
-
Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
-
Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Benjamin Gabriel Poulson,Kacper Szczepski,Joanna Izabela Lachowicz,Lukasz Jaremko,Abdul-Hamid Emwas,Mariusz Jaremko RSC Adv., 2020,10, 215-227
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
71685-97-7 (Benzene,isothiocyanatodimethyl- (9CI)) Related Products
- 19241-18-0(2,4,5-Trimethylphenyl isothiocyanate)
- 19241-15-7(2,5-Dimethylphenyl isothiocyanate)
- 6095-82-5(2,4,6-Trimethylphenyl isothiocyanate)
- 19241-16-8(2,6-Dimethylphenyl isothiocyanate)
- 614-69-7(o-Tolyl isothiocyanate)
- 39842-01-8(2,4-Dimethylphenyl isothiocyanate)
- 1539-20-4(2,3-Dimethylphenyl isothiocyanate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
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